[3-(4,6-diaminocarbonyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: [3-(4,6-diaminocarbonyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: [3-(4,6-dicarbamoyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxy-propyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-(4,6-dicarbamoyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxypropyl] ester IUPAC Name: [3-(4,6-dicarbamoyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxypropyl] 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid [3-(4,6-dicarbamoyl-5-ethyl-1-phenyl-2H-pyridin-3-yl)-2-methoxy-propyl] ester Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(CC(=C1C(=O)N)CC(COC(=O)C2C3=CC=CC=C3CCN2)OC)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCC1=C(N(CC(=C1C(=O)N)CC(COC(=O)C2C3=CC=CC=C3CCN2)OC)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C29H34N4O5/c1-3-22-24(27(30)34)19(16-33(26(22)28(31)35)20-10-5-4-6-11-20)15-21(37-2)17-38-29(36)25-23-12-8-7-9-18(23)13-14-32-25/h4-12,21,25,32H,3,13-17H2,1-2H3,(H2,30,34)(H2,31,35)