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

Systemtic Name: 4-[1-azanyl-3-[5-(dimethylamino)-2-piperidin-1-yl-phenyl]-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-(dimethylamino)-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-(dimethylamino)-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[5-(dimethylamino)-2-piperidin-1-ylphenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[5-(dimethylamino)-2-piperidino-phenyl]propyl]benzoic acid Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-16(22(23(25)28)17-7-9-18(10-8-17)24(29)30)20-15-19(26(2)3)11-12-21(20)27-13-5-4-6-14-27/h7-12,15-16,22H,4-6,13-14H2,1-3H3,(H2,25,28)(H,29,30)