2-[[4-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid hydrate

Systemtic Name: 2-[[4-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid hydrate Openeye Name: 2-[[4-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]carbamoyl]benzoic acid hydrate CAS Name: 2-[[[4-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]amino]-oxomethyl]benzoic acid hydrate IUPAC Name: 2-[[4-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid hydrate Traditional Name: 2-[[4-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]carbamoyl]benzoic acid hydrate Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(CCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4C(=O)O.O

Isomeric SMILES

C1CNCCC1(CCC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4C(=O)O.O

InChI

InChI=1S/C23H25N3O3.H2O/c27-21(18-6-1-2-7-19(18)22(28)29)26-23(11-13-24-14-12-23)10-9-16-15-25-20-8-4-3-5-17(16)20;/h1-8,15,24-25H,9-14H2,(H,26,27)(H,28,29);1H2