2-[(1S)-1-(butanoylamino)-2-phenyl-ethyl]-1-propan-2-yl-benzimidazole-5-carboxylate

Systemtic Name: 2-[(1S)-1-(butanoylamino)-2-phenyl-ethyl]-1-propan-2-yl-benzimidazole-5-carboxylate Openeye Name: 2-[(1S)-1-(butanoylamino)-2-phenyl-ethyl]-1-isopropyl-benzimidazole-5-carboxylate CAS Name: 2-[(1S)-1-(1-oxobutylamino)-2-phenylethyl]-1-propan-2-yl-5-benzimidazolecarboxylate IUPAC Name: 2-[(1S)-1-(butanoylamino)-2-phenylethyl]-1-propan-2-ylbenzimidazole-5-carboxylate Traditional Name: 2-[(1S)-1-butyramido-2-phenyl-ethyl]-1-isopropyl-benzimidazole-5-carboxylate Formula: C23H26N3O3- MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=CC=C1)C2=NC3=C(N2C(C)C)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=CC=C1)C2=NC3=C(N2C(C)C)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H27N3O3/c1-4-8-21(27)24-19(13-16-9-6-5-7-10-16)22-25-18-14-17(23(28)29)11-12-20(18)26(22)15(2)3/h5-7,9-12,14-15,19H,4,8,13H2,1-3H3,(H,24,27)(H,28,29)/p-1/t19-/m0/s1