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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=CC=C2C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC1CCCCN1C2=CC=CC=C2C(C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H28N2O3/c1-15-7-5-6-14-25(15)20-9-4-3-8-19(20)16(2)21(22(24)26)17-10-12-18(13-11-17)23(27)28/h3-4,8-13,15-16,21H,5-7,14H2,1-2H3,(H2,24,26)(H,27,28)