3-[[2-[1,3-diphenylpropyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[1,3-diphenylpropyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[benzyl(1,3-diphenylpropyl)amino]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[1,3-diphenylpropyl-(phenylmethyl)amino]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[benzyl(1,3-diphenylpropyl)amino]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[benzyl(1,3-diphenylpropyl)amino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C32H31N3O4 MolecularWeight: 521.60624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C2=CC=CC=C2)N(CC3=CC=CC=C3)C(=O)CNC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C32H31N3O4/c36-30(22-33-32(39)34-28-18-10-17-27(21-28)31(37)38)35(23-25-13-6-2-7-14-25)29(26-15-8-3-9-16-26)20-19-24-11-4-1-5-12-24/h1-18,21,29H,19-20,22-23H2,(H,37,38)(H2,33,34,39)