tert-butyl 4-(2-azanylethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 4-(2-azanylethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 4-(2-aminoethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 4-(2-aminoethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-aminoethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 4-(2-aminoethyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C(C1)C=CC(=C2)OC)CCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C2=C(C1)C=CC(=C2)OC)CCN

InChI

InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-12-5-6-14(21-4)9-15(12)13(11-19)7-8-18/h5-6,9,13H,7-8,10-11,18H2,1-4H3