2-[1-[2-[3-methoxy-4-[(3-methylpyridin-2-yl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[1-[2-[3-methoxy-4-[(3-methylpyridin-2-yl)carbamoylamino]phenyl]ethanoylamino]-3-methyl-butyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[1-[[2-[3-methoxy-4-[(3-methyl-2-pyridyl)carbamoylamino]phenyl]acetyl]amino]-3-methyl-butyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[1-[[2-[3-methoxy-4-[[[(3-methyl-2-pyridinyl)amino]-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-methylbutyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[1-[[2-[3-methoxy-4-[(3-methylpyridin-2-yl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[1-[[2-[3-methoxy-4-[(3-methyl-2-pyridyl)carbamoylamino]phenyl]acetyl]amino]-3-methyl-butyl]-3H-benzimidazole-5-carboxylic acid Formula: C29H32N6O5 MolecularWeight: 544.60158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(CC(C)C)C3=NC4=C(N3)C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)NC2=C(C=C(C=C2)CC(=O)NC(CC(C)C)C3=NC4=C(N3)C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C29H32N6O5/c1-16(2)12-23(27-32-20-10-8-19(28(37)38)15-22(20)33-27)31-25(36)14-18-7-9-21(24(13-18)40-4)34-29(39)35-26-17(3)6-5-11-30-26/h5-11,13,15-16,23H,12,14H2,1-4H3,(H,31,36)(H,32,33)(H,37,38)(H2,30,34,35,39)