4-[2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]ethanoyl-(pyridin-4-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]ethanoyl-(pyridin-4-ylmethyl)amino]benzoic acid Openeye Name: 4-[[2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]-(4-pyridylmethyl)amino]benzoic acid CAS Name: 4-[[2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-1-oxoethyl]-(pyridin-4-ylmethyl)amino]benzoic acid IUPAC Name: 4-[[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(pyridin-4-ylmethyl)amino]benzoic acid Traditional Name: 4-[[2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]-(4-pyridylmethyl)amino]benzoic acid Formula: C31H29N5O5 MolecularWeight: 551.59246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)N(CC3=CC=NC=C3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)N(CC3=CC=NC=C3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H29N5O5/c1-21-4-2-3-5-27(21)35-31(41)34-25-10-6-22(7-11-25)18-28(37)33-19-29(38)36(20-23-14-16-32-17-15-23)26-12-8-24(9-13-26)30(39)40/h2-17H,18-20H2,1H3,(H,33,37)(H,39,40)(H2,34,35,41)