2-[1-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[1-[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]ethylcarbamoyl]benzoic acid Openeye Name: 2-[1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethylcarbamoyl]benzoic acid CAS Name: 2-[[1-[4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethylcarbamoyl]benzoic acid Traditional Name: 2-[1-[4-(2-benzhydryloxyethyl)piperazino]ethylcarbamoyl]benzoic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1=CC=CC=C1C(=O)O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(NC(=O)C1=CC=CC=C1C(=O)O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-22(30-28(33)25-14-8-9-15-26(25)29(34)35)32-18-16-31(17-19-32)20-21-36-27(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,22,27H,16-21H2,1H3,(H,30,33)(H,34,35)