3-[4-[2-[(2-ethoxyphenyl)carbamoyloxy]ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[2-[(2-ethoxyphenyl)carbamoyloxy]ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[2-[(2-ethoxyphenyl)carbamoyloxy]ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[2-[(2-ethoxyanilino)-oxomethoxy]ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[2-[(2-ethoxyphenyl)carbamoyloxy]ethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[4-[2-(o-phenetylcarbamoyloxy)ethyl]piperazino]benzoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)OCCN2CCN(CC2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H27N3O5/c1-2-29-20-9-4-3-8-19(20)23-22(28)30-15-14-24-10-12-25(13-11-24)18-7-5-6-17(16-18)21(26)27/h3-9,16H,2,10-15H2,1H3,(H,23,28)(H,26,27)