ethyl 1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-tert-butyl-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-1,4-dihydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 1-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-tert-butyl-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-1,4-dihydroisoquinoline-3-carboxylate Openeye Name: ethyl 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-tert-butyl-2-(1-ethoxycarbonyl-3-phenyl-propyl)-1,4-dihydroisoquinoline-3-carboxylate CAS Name: 1-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-tert-butyl-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-1,4-dihydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-tert-butyl-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-1,4-dihydroisoquinoline-3-carboxylate Traditional Name: 3-tert-butyl-2-(1-carbethoxy-3-phenyl-propyl)-1-tyrosyl-1,4-dihydroisoquinoline-3-carboxylic acid ethyl ester Formula: C37H46N2O6 MolecularWeight: 614.77094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3CC2(C(=O)OCC)C(C)(C)C)C(=O)C(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3CC2(C(=O)OCC)C(C)(C)C)C(=O)C(CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C37H46N2O6/c1-6-44-34(42)31(22-19-25-13-9-8-10-14-25)39-32(33(41)30(38)23-26-17-20-28(40)21-18-26)29-16-12-11-15-27(29)24-37(39,36(3,4)5)35(43)45-7-2/h8-18,20-21,30-32,40H,6-7,19,22-24,38H2,1-5H3