[3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-azanylbenzoate

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-azanylbenzoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: [3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3N

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3N

InChI

InChI=1S/C26H36N2O2/c1-4-5-6-9-16-28-17-15-26(3,20(2)19-28)21-11-10-12-22(18-21)30-25(29)23-13-7-8-14-24(23)27/h7-8,10-14,18,20H,4-6,9,15-17,19,27H2,1-3H3/t20-,26-/m0/s1