2-[1-(carboxymethyl)indol-3-yl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(diphenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-(4-benzhydrylpiperazino)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CN(C5=CC=CC=C54)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CN(C5=CC=CC=C54)CC(=O)O)C(=O)O

InChI

InChI=1S/C29H29N3O4/c33-26(34)20-32-19-24(23-13-7-8-14-25(23)32)28(29(35)36)31-17-15-30(16-18-31)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,19,27-28H,15-18,20H2,(H,33,34)(H,35,36)