2-azanyl-4-methyl-3-[1-(phenylmethyl)piperidin-4-yl]benzoic acid

Systemtic Name: 2-azanyl-4-methyl-3-[1-(phenylmethyl)piperidin-4-yl]benzoic acid Openeye Name: 2-amino-3-(1-benzyl-4-piperidyl)-4-methyl-benzoic acid CAS Name: 2-amino-4-methyl-3-[1-(phenylmethyl)-4-piperidinyl]benzoic acid IUPAC Name: 2-amino-3-(1-benzylpiperidin-4-yl)-4-methylbenzoic acid Traditional Name: 2-amino-3-(1-benzyl-4-piperidyl)-4-methyl-benzoic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)N)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)N)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-14-7-8-17(20(23)24)19(21)18(14)16-9-11-22(12-10-16)13-15-5-3-2-4-6-15/h2-8,16H,9-13,21H2,1H3,(H,23,24)