1-(cyclopropylmethyl)-2-[(1S)-2-phenyl-1-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-(cyclopropylmethyl)-2-[(1S)-2-phenyl-1-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-(cyclopropylmethyl)-2-[(1S)-1-(isopropylcarbamoylamino)-2-phenyl-ethyl]benzimidazole-5-carboxylic acid CAS Name: 1-(cyclopropylmethyl)-2-[(1S)-1-[[oxo-(propan-2-ylamino)methyl]amino]-2-phenylethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-(cyclopropylmethyl)-2-[(1S)-2-phenyl-1-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-(cyclopropylmethyl)-2-[(1S)-1-(isopropylcarbamoylamino)-2-phenyl-ethyl]benzimidazole-5-carboxylic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(CC1=CC=CC=C1)C2=NC3=C(N2CC4CC4)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)NC(=O)N[C@@H](CC1=CC=CC=C1)C2=NC3=C(N2CC4CC4)C=CC(=C3)C(=O)O

InChI

InChI=1S/C24H28N4O3/c1-15(2)25-24(31)27-20(12-16-6-4-3-5-7-16)22-26-19-13-18(23(29)30)10-11-21(19)28(22)14-17-8-9-17/h3-7,10-11,13,15,17,20H,8-9,12,14H2,1-2H3,(H,29,30)(H2,25,27,31)/t20-/m0/s1