[2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] pentanoate

Systemtic Name: [2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] pentanoate Openeye Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] pentanoate CAS Name: pentanoic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] pentanoate Traditional Name: valeric acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C=C1)C(CN(C2)C)C3(CCCCC3)O

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C=C1)C(CN(C2)C)C3(CCCCC3)O

InChI

InChI=1S/C21H31NO3/c1-3-4-8-20(23)25-17-9-10-18-16(13-17)14-22(2)15-19(18)21(24)11-6-5-7-12-21/h9-10,13,19,24H,3-8,11-12,14-15H2,1-2H3