5-[[3-(dimethylamino)pyrrolidin-1-yl]carbonylamino]-2-(diphenylmethyl)oxy-benzoic acid

Systemtic Name: 5-[[3-(dimethylamino)pyrrolidin-1-yl]carbonylamino]-2-(diphenylmethyl)oxy-benzoic acid Openeye Name: 2-benzhydryloxy-5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]benzoic acid CAS Name: 5-[[[3-(dimethylamino)-1-pyrrolidinyl]-oxomethyl]amino]-2-(diphenylmethyl)oxybenzoic acid IUPAC Name: 2-benzhydryloxy-5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]benzoic acid Traditional Name: 2-benzhydryloxy-5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]benzoic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(C1)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)C1CCN(C1)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29N3O4/c1-29(2)22-15-16-30(18-22)27(33)28-21-13-14-24(23(17-21)26(31)32)34-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22,25H,15-16,18H2,1-2H3,(H,28,33)(H,31,32)