2-[2-[[(E)-3-(1,3-benzodioxol-5-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-(1,3-benzodioxol-5-yl)-6-naphthalen-2-yl-hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-(2-naphthyl)pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-6-(2-naphthalenyl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-3-(1,3-benzodioxol-5-yl)-6-naphthalen-2-ylhex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[(E)-2-(1,3-benzodioxol-5-yl)-1-methyl-5-(2-naphthyl)pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C40H37NO7 MolecularWeight: 643.72428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=CC2=CC=CC=C2C=C1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(C/C=C/C1=CC2=CC=CC=C2C=C1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C40H37NO7/c1-26(41(38(42)22-34(40(45)46)23-39(43)44)24-28-14-16-30-9-3-5-11-32(30)20-28)35(33-17-18-36-37(21-33)48-25-47-36)12-6-7-27-13-15-29-8-2-4-10-31(29)19-27/h2-11,13-21,26,34-35H,12,22-25H2,1H3,(H,43,44)(H,45,46)/b7-6+