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

Systemtic Name: 4-[1-azanyl-3-[5-(ethoxycarbonylamino)-2-piperidin-1-yl-phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-(ethoxycarbonylamino)-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-(ethoxycarbonylamino)-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[5-(ethoxycarbonylamino)-2-piperidin-1-ylphenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[5-(carbethoxyamino)-2-piperidino-phenyl]propyl]benzoic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCOC(=O)NC1=CC(=C(C=C1)N2CCCCC2)C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H31N3O5/c1-3-33-25(32)27-19-11-12-21(28-13-5-4-6-14-28)20(15-19)16(2)22(23(26)29)17-7-9-18(10-8-17)24(30)31/h7-12,15-16,22H,3-6,13-14H2,1-2H3,(H2,26,29)(H,27,32)(H,30,31)