methyl 3-(3-cyanophenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate Openeye Name: methyl 3-(3-cyanophenyl)-5-[(1-isopropyl-4-piperidyl)methoxymethyl]benzoate CAS Name: 3-(3-cyanophenyl)-5-[(1-propan-2-yl-4-piperidinyl)methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-5-[(1-propan-2-ylpiperidin-4-yl)methoxymethyl]benzoate Traditional Name: 3-(3-cyanophenyl)-5-[(1-isopropyl-4-piperidyl)methoxymethyl]benzoic acid methyl ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)N1CCC(CC1)COCC2=CC(=CC(=C2)C(=O)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H30N2O3/c1-18(2)27-9-7-19(8-10-27)16-30-17-21-12-23(14-24(13-21)25(28)29-3)22-6-4-5-20(11-22)15-26/h4-6,11-14,18-19H,7-10,16-17H2,1-3H3