2-[2-[[3-(4-chlorophenyl)-4-[3-(phenylcarbamoyl)-1,2-oxazol-5-yl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[3-(4-chlorophenyl)-4-[3-(phenylcarbamoyl)-1,2-oxazol-5-yl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-[3-(phenylcarbamoyl)isoxazol-5-yl]propyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[4-[3-[anilino(oxo)methyl]-5-isoxazolyl]-3-(4-chlorophenyl)butan-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[3-(4-chlorophenyl)-4-[3-(phenylcarbamoyl)-1,2-oxazol-5-yl]butan-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[2-(4-chlorophenyl)-1-methyl-3-[3-(phenylcarbamoyl)isoxazol-5-yl]propyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C37H34ClN3O7 MolecularWeight: 668.13476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC(=NO1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(CC1=CC(=NO1)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C37H34ClN3O7/c1-23(41(34(42)18-28(37(46)47)19-35(43)44)22-24-11-12-25-7-5-6-8-27(25)17-24)32(26-13-15-29(38)16-14-26)20-31-21-33(40-48-31)36(45)39-30-9-3-2-4-10-30/h2-17,21,23,28,32H,18-20,22H2,1H3,(H,39,45)(H,43,44)(H,46,47)