2-[2-[[(E)-3-(6-methylpyridin-3-yl)-6-naphthalen-2-yl-hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[(E)-3-(6-methylpyridin-3-yl)-6-naphthalen-2-yl-hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-1-methyl-2-(6-methyl-3-pyridyl)-5-(2-naphthyl)pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-3-(6-methyl-3-pyridinyl)-6-(2-naphthalenyl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-3-(6-methylpyridin-3-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-keto-2-[[(E)-1-methyl-2-(6-methyl-3-pyridyl)-5-(2-naphthyl)pent-4-enyl]-(2-naphthylmethyl)amino]ethyl]succinic acid Formula: C39H38N2O5 MolecularWeight: 614.72942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(CC=CC2=CC3=CC=CC=C3C=C2)C(C)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)C(C/C=C/C2=CC3=CC=CC=C3C=C2)C(C)N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C39H38N2O5/c1-26-14-17-34(24-40-26)36(13-7-8-28-15-18-30-9-3-5-11-32(30)20-28)27(2)41(37(42)22-35(39(45)46)23-38(43)44)25-29-16-19-31-10-4-6-12-33(31)21-29/h3-12,14-21,24,27,35-36H,13,22-23,25H2,1-2H3,(H,43,44)(H,45,46)/b8-7+