2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)pyridin-3-yl]ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

Systemtic Name: 2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)pyridin-3-yl]ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-3-pyridyl]ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-3-pyridinyl]ethyl ester IUPAC Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)pyridin-3-yl]ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-3-pyridyl]ethyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CN=C1C(=O)NC2=CC=CC=C2)CCOC(=O)C3C4=CC=CC=C4CCN3)C(=O)N

Isomeric SMILES

CCC1=C(C(=CN=C1C(=O)NC2=CC=CC=C2)CCOC(=O)C3C4=CC=CC=C4CCN3)C(=O)N

InChI

InChI=1S/C27H28N4O4/c1-2-20-22(25(28)32)18(16-30-23(20)26(33)31-19-9-4-3-5-10-19)13-15-35-27(34)24-21-11-7-6-8-17(21)12-14-29-24/h3-11,16,24,29H,2,12-15H2,1H3,(H2,28,32)(H,31,33)