4-[1-azanyl-3-(5-ethoxycarbonyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-ethoxycarbonyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-ethoxycarbonyl-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-ethoxycarbonyl-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-ethoxycarbonyl-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-carbethoxy-2-piperidino-phenyl)propyl]benzoic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H30N2O5/c1-3-32-25(31)19-11-12-21(27-13-5-4-6-14-27)20(15-19)16(2)22(23(26)28)17-7-9-18(10-8-17)24(29)30/h7-12,15-16,22H,3-6,13-14H2,1-2H3,(H2,26,28)(H,29,30)