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

Systemtic Name: 2-[2-[[(E)-6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[(E)-5-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[[(E)-6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[[(E)-6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[[(E)-5-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-ethyl]succinic acid Formula: C36H34ClN3O5 MolecularWeight: 624.12526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=NC2=CC=CC=C2N1)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=NC2=CC=CC=C2N1)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/C36H34ClN3O5/c1-23(30(26-15-17-29(37)18-16-26)9-6-12-33-38-31-10-4-5-11-32(31)39-33)40(34(41)20-28(36(44)45)21-35(42)43)22-24-13-14-25-7-2-3-8-27(25)19-24/h2-8,10-19,23,28,30H,9,20-22H2,1H3,(H,38,39)(H,42,43)(H,44,45)/b12-6+