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

Systemtic Name: 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]ethanoyl]pyrrolidin-2-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]acetyl]pyrrolidin-2-yl]methoxy]benzoic acid CAS Name: 4-[[1-[2-[4-[[(2-chloroanilino)-oxomethyl]amino]-3-methoxyphenyl]-1-oxoethyl]-2-pyrrolidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidin-2-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[2-[4-[(2-chlorophenyl)carbamoylamino]-3-methoxy-phenyl]acetyl]pyrrolidin-2-yl]methoxy]benzoic acid Formula: C28H28ClN3O6 MolecularWeight: 537.99142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)N2CCCC2COC3=CC=C(C=C3)C(=O)O)NC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)N2CCCC2COC3=CC=C(C=C3)C(=O)O)NC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C28H28ClN3O6/c1-37-25-15-18(8-13-24(25)31-28(36)30-23-7-3-2-6-22(23)29)16-26(33)32-14-4-5-20(32)17-38-21-11-9-19(10-12-21)27(34)35/h2-3,6-13,15,20H,4-5,14,16-17H2,1H3,(H,34,35)(H2,30,31,36)