[(2S)-3-phenyl-2-piperidin-1-yl-propyl] 4-azanyl-3-butoxy-benzoate

Systemtic Name: [(2S)-3-phenyl-2-piperidin-1-yl-propyl] 4-azanyl-3-butoxy-benzoate Openeye Name: [(2S)-3-phenyl-2-(1-piperidyl)propyl] 4-amino-3-butoxy-benzoate CAS Name: 4-amino-3-butoxybenzoic acid [(2S)-3-phenyl-2-(1-piperidinyl)propyl] ester IUPAC Name: [(2S)-3-phenyl-2-piperidin-1-ylpropyl] 4-amino-3-butoxybenzoate Traditional Name: 4-amino-3-butoxy-benzoic acid [(2S)-3-phenyl-2-piperidino-propyl] ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCC(CC2=CC=CC=C2)N3CCCCC3)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OC[C@H](CC2=CC=CC=C2)N3CCCCC3)N

InChI

InChI=1S/C25H34N2O3/c1-2-3-16-29-24-18-21(12-13-23(24)26)25(28)30-19-22(27-14-8-5-9-15-27)17-20-10-6-4-7-11-20/h4,6-7,10-13,18,22H,2-3,5,8-9,14-17,19,26H2,1H3/t22-/m0/s1