1-(1-phenethylpiperidin-3-yl)propan-2-yl 3,4,5-trimethoxybenzoate

Systemtic Name: 1-(1-phenethylpiperidin-3-yl)propan-2-yl 3,4,5-trimethoxybenzoate Openeye Name: [1-methyl-2-(1-phenethyl-3-piperidyl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 1-(1-phenethyl-3-piperidinyl)propan-2-yl ester IUPAC Name: 1-(1-phenethylpiperidin-3-yl)propan-2-yl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [1-methyl-2-(1-phenethyl-3-piperidyl)ethyl] ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCCN(C1)CCC2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(CC1CCCN(C1)CCC2=CC=CC=C2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H35NO5/c1-19(32-26(28)22-16-23(29-2)25(31-4)24(17-22)30-3)15-21-11-8-13-27(18-21)14-12-20-9-6-5-7-10-20/h5-7,9-10,16-17,19,21H,8,11-15,18H2,1-4H3