3-[[4-[1-(cyclopropylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[1-(cyclopropylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[1-(cyclopropylmethyl)indol-3-yl]-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-[1-(cyclopropylmethyl)-3-indolyl]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-[1-(cyclopropylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[1-(cyclopropylmethyl)indol-3-yl]piperidino]methyl]benzoic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CC1CN2C=C(C3=CC=CC=C32)C4CCN(CC4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H28N2O2/c28-25(29)21-5-3-4-19(14-21)15-26-12-10-20(11-13-26)23-17-27(16-18-8-9-18)24-7-2-1-6-22(23)24/h1-7,14,17-18,20H,8-13,15-16H2,(H,28,29)