[1-(2-azanylpropanoyl)-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl carbonate

Systemtic Name: [1-(2-azanylpropanoyl)-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl carbonate Openeye Name: [1-(2-aminopropanoyl)-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl carbonate CAS Name: carbonic acid [1-(2-amino-1-oxopropyl)-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl ester IUPAC Name: [1-(2-aminopropanoyl)-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl carbonate Traditional Name: carbonic acid [1-alanyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-3-yl] octyl ester Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OC1CC2=CC=CC=C2C(N1CCCC3=CC=CC=C3)C(=O)C(C)N

Isomeric SMILES

CCCCCCCCOC(=O)OC1CC2=CC=CC=C2C(N1CCCC3=CC=CC=C3)C(=O)C(C)N

InChI

InChI=1S/C30H42N2O4/c1-3-4-5-6-7-13-21-35-30(34)36-27-22-25-18-11-12-19-26(25)28(29(33)23(2)31)32(27)20-14-17-24-15-9-8-10-16-24/h8-12,15-16,18-19,23,27-28H,3-7,13-14,17,20-22,31H2,1-2H3