2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyridin-3-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyridin-3-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[1-methyl-2-(4-nitrophenyl)-3-[5-(3-pyridylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[2-naphthalenylmethyl-[3-(4-nitrophenyl)-4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyridin-3-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-keto-2-[[1-methyl-2-(4-nitrophenyl)-3-[5-(3-pyridylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]ethyl]succinic acid Formula: C37H34N4O9 MolecularWeight: 678.68726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C37H34N4O9/c1-23(40(34(42)18-28(37(46)47)19-35(43)44)22-24-8-9-25-5-2-3-6-27(25)17-24)32(26-10-12-30(13-11-26)41(48)49)20-31-14-15-33(50-31)36(45)39-29-7-4-16-38-21-29/h2-17,21,23,28,32H,18-20,22H2,1H3,(H,39,45)(H,43,44)(H,46,47)