2-(diphenylmethyl)oxy-5-[[4-(2-hydroxyethyl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-(diphenylmethyl)oxy-5-[[4-(2-hydroxyethyl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-benzhydryloxy-5-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-(diphenylmethyl)oxy-5-[[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-benzhydryloxy-5-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-benzhydryloxy-5-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCO)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29N3O5/c31-18-17-29-13-15-30(16-14-29)27(34)28-22-11-12-24(23(19-22)26(32)33)35-25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,19,25,31H,13-18H2,(H,28,34)(H,32,33)