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

Systemtic Name: 3-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)pyridin-3-yl]propyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Openeye Name: 3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-3-pyridyl]propyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate CAS Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 3-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-3-pyridinyl]propyl ester IUPAC Name: 3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)pyridin-3-yl]propyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate Traditional Name: 1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid 3-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-3-pyridyl]propyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O4/c1-2-21-23(26(29)33)19(17-31-24(21)27(34)32-20-11-4-3-5-12-20)10-8-16-36-28(35)25-22-13-7-6-9-18(22)14-15-30-25/h3-7,9,11-13,17,25,30H,2,8,10,14-16H2,1H3,(H2,29,33)(H,32,34)