[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate CAS Name: 3-(1-phenyl-2-benzimidazolyl)propanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(1-phenylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-phenylbenzimidazol-2-yl)propionic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-26(28-21-14-13-19-7-6-8-20(19)17-21)18-33-27(32)16-15-25-29-23-11-4-5-12-24(23)30(25)22-9-2-1-3-10-22/h1-5,9-14,17H,6-8,15-16,18H2,(H,28,31)