tert-butyl 4-chloranyl-3-ethoxy-1-methoxy-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-3-ethoxy-1-methoxy-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: tert-butyl 4-chloro-3-ethoxy-1-methoxy-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-chloro-3-ethoxy-1-methoxy-6-[[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]-oxomethyl]-1-cyclohexa-2,4-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-3-ethoxy-1-methoxy-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-chloro-3-ethoxy-1-methoxy-6-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]cyclohexa-2,4-diene-1-carboxylic acid tert-butyl ester Formula: C25H33ClN2O5 MolecularWeight: 476.99292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(C(C=C1Cl)C(=O)NC2=CC=CC3=C2CCNC3C)(C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCOC1=CC(C(C=C1Cl)C(=O)NC2=CC=CC3=C2CCNC3C)(C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H33ClN2O5/c1-7-32-21-14-25(31-6,23(30)33-24(3,4)5)18(13-19(21)26)22(29)28-20-10-8-9-16-15(2)27-12-11-17(16)20/h8-10,13-15,18,27H,7,11-12H2,1-6H3,(H,28,29)