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

Systemtic Name: 3-[4-(3-phenoxypropanoyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(3-phenoxypropanoyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-(1-oxo-3-phenoxypropyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-(3-phenoxypropanoyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(3-phenoxypropanoyl)piperazine-1-carbonyl]benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5/c24-19(9-14-28-18-7-2-1-3-8-18)22-10-12-23(13-11-22)20(25)16-5-4-6-17(15-16)21(26)27/h1-8,15H,9-14H2,(H,26,27)