4-[[1-[1-butyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-2-naphthalen-1-yl-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]benzimidazol-2-yl]-2-naphthalen-1-yl-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxo-ethyl)carbamoyl]benzimidazol-2-yl]-2-(1-naphthyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[1-butyl-5-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]-2-benzimidazolyl]-2-(1-naphthalenyl)ethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[1-butyl-5-[(2-methoxy-2-oxoethyl)carbamoyl]benzimidazol-2-yl]-2-naphthalen-1-ylethyl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-[1-butyl-5-[(2-keto-2-methoxy-ethyl)carbamoyl]benzimidazol-2-yl]-2-(1-naphthyl)ethyl]amino]-4-keto-butyric acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)NCC(=O)OC)N=C1C(CC3=CC=CC4=CC=CC=C43)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)NCC(=O)OC)N=C1C(CC3=CC=CC4=CC=CC=C43)NC(=O)CCC(=O)O

InChI

InChI=1S/C31H34N4O6/c1-3-4-16-35-26-13-12-22(31(40)32-19-29(39)41-2)18-24(26)34-30(35)25(33-27(36)14-15-28(37)38)17-21-10-7-9-20-8-5-6-11-23(20)21/h5-13,18,25H,3-4,14-17,19H2,1-2H3,(H,32,40)(H,33,36)(H,37,38)