tert-butyl (2R,4R)-4-isoquinolin-6-yloxy-2-[(2-methylphenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R,4R)-4-isoquinolin-6-yloxy-2-[(2-methylphenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R,4R)-4-(6-isoquinolyloxy)-2-(o-tolylcarbamoyl)piperidine-1-carboxylate CAS Name: (2R,4R)-4-(6-isoquinolinyloxy)-2-[(2-methylanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,4R)-4-isoquinolin-6-yloxy-2-[(2-methylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: (2R,4R)-4-(6-isoquinolyloxy)-2-(o-tolylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CC(CCN2C(=O)OC(C)(C)C)OC3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H]2C[C@@H](CCN2C(=O)OC(C)(C)C)OC3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C27H31N3O4/c1-18-7-5-6-8-23(18)29-25(31)24-16-22(12-14-30(24)26(32)34-27(2,3)4)33-21-10-9-20-17-28-13-11-19(20)15-21/h5-11,13,15,17,22,24H,12,14,16H2,1-4H3,(H,29,31)/t22-,24-/m1/s1