tert-butyl (3S)-3-[[4-(cyclohexylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[4-(cyclohexylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[4-(cyclohexylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[4-[(cyclohexylamino)-oxomethyl]cyclohexyl]methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[4-(cyclohexylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[4-(cyclohexylcarbamoyl)cyclohexyl]methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H43N3O4 MolecularWeight: 497.66942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3CCC(CC3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC3CCC(CC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C29H43N3O4/c1-29(2,3)36-28(35)32-19-23-10-8-7-9-22(23)17-25(32)27(34)30-18-20-13-15-21(16-14-20)26(33)31-24-11-5-4-6-12-24/h7-10,20-21,24-25H,4-6,11-19H2,1-3H3,(H,30,34)(H,31,33)/t20?,21?,25-/m0/s1