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

Systemtic Name: methyl 4-[[7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate Openeye Name: methyl 4-[[7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate CAS Name: 4-[[7-[(3-methoxy-1-oxopropyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoate Traditional Name: 4-[[7-(3-methoxypropanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=C(C=C3)C(=O)OC)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=C(C=C3)C(=O)OC)C=C1

InChI

InChI=1S/C22H26N2O4/c1-27-12-10-21(25)23-20-8-7-17-9-11-24(15-19(17)13-20)14-16-3-5-18(6-4-16)22(26)28-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,25)