4-[2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]ethanoyl-(2-pyrrolidin-1-ylethyl)amino]benzoic acid

Systemtic Name: 4-[2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]ethanoyl-(2-pyrrolidin-1-ylethyl)amino]benzoic acid Openeye Name: 4-[[2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]-(2-pyrrolidin-1-ylethyl)amino]benzoic acid CAS Name: 4-[[2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-1-oxoethyl]-[2-(1-pyrrolidinyl)ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(2-pyrrolidin-1-ylethyl)amino]benzoic acid Traditional Name: 4-[[2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]acetyl]-(2-pyrrolidinoethyl)amino]benzoic acid Formula: C31H35N5O5 MolecularWeight: 557.6401

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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(CCN3CCCC3)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(CCN3CCCC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H35N5O5/c1-22-6-2-3-7-27(22)34-31(41)33-25-12-8-23(9-13-25)20-28(37)32-21-29(38)36(19-18-35-16-4-5-17-35)26-14-10-24(11-15-26)30(39)40/h2-3,6-15H,4-5,16-21H2,1H3,(H,32,37)(H,39,40)(H2,33,34,41)