2-[2-[[(E)-6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[[(E)-6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-5-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[(E)-5-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C36H34ClNO7 MolecularWeight: 628.11066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=CC2=C(C=C1)OCO2)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(C/C=C/C1=CC2=C(C=C1)OCO2)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/C36H34ClNO7/c1-23(31(27-12-14-30(37)15-13-27)8-4-5-24-10-16-32-33(18-24)45-22-44-32)38(34(39)19-29(36(42)43)20-35(40)41)21-25-9-11-26-6-2-3-7-28(26)17-25/h2-7,9-18,23,29,31H,8,19-22H2,1H3,(H,40,41)(H,42,43)/b5-4+