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

Systemtic Name: 4-[1-azanyl-3-(3-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[3-methyl-2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-3-[3-methyl-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(3-methyl-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(3-methyl-2-piperidino-phenyl)propyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C(C2=CC=C(C=C2)C(=O)O)C(=O)N)N3CCCCC3

InChI

InChI=1S/C23H28N2O3/c1-15-7-6-8-19(21(15)25-13-4-3-5-14-25)16(2)20(22(24)26)17-9-11-18(12-10-17)23(27)28/h6-12,16,20H,3-5,13-14H2,1-2H3,(H2,24,26)(H,27,28)