3-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid CAS Name: 3-[4-(1-oxo-3-phenoxypropyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[4-(3-phenoxypropanoyl)piperazino]benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c23-19(9-14-26-18-7-2-1-3-8-18)22-12-10-21(11-13-22)17-6-4-5-16(15-17)20(24)25/h1-8,15H,9-14H2,(H,24,25)