methyl 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C(N1)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C(N1)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17NO4/c1-21-18(20)14-8-11-4-2-3-5-13(11)17(19-14)12-6-7-15-16(9-12)23-10-22-15/h2-7,9,14,17,19H,8,10H2,1H3