3-methoxy-4-[2-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]pyrrolidin-2-yl]ethynyl]benzoic acid

Systemtic Name: 3-methoxy-4-[2-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoyl]pyrrolidin-2-yl]ethynyl]benzoic acid Openeye Name: 3-methoxy-4-[2-[1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]pyrrolidin-2-yl]ethynyl]benzoic acid CAS Name: 3-methoxy-4-[2-[1-[2-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]-2-pyrrolidinyl]ethynyl]benzoic acid IUPAC Name: 3-methoxy-4-[2-[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]ethynyl]benzoic acid Traditional Name: 3-methoxy-4-[2-[1-[2-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]acetyl]pyrrolidin-2-yl]ethynyl]benzoic acid Formula: C31H31N3O6 MolecularWeight: 541.59434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCCC3C#CC4=C(C=C(C=C4)C(=O)O)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)N3CCCC3C#CC4=C(C=C(C=C4)C(=O)O)OC)OC

InChI

InChI=1S/C31H31N3O6/c1-20-7-4-5-9-25(20)32-31(38)33-26-15-10-21(17-28(26)40-3)18-29(35)34-16-6-8-24(34)14-13-22-11-12-23(30(36)37)19-27(22)39-2/h4-5,7,9-12,15,17,19,24H,6,8,16,18H2,1-3H3,(H,36,37)(H2,32,33,38)