tert-butyl (3S)-3-[4-(cyclohexylcarbamoyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[4-(cyclohexylcarbamoyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[4-[(cyclohexylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC(CC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C27H39N3O4/c1-27(2,3)34-26(33)30-18-21-10-8-7-9-20(21)17-23(30)25(32)29-15-13-19(14-16-29)24(31)28-22-11-5-4-6-12-22/h7-10,19,22-23H,4-6,11-18H2,1-3H3,(H,28,31)/t23-/m0/s1