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

Systemtic Name: tert-butyl (3S)-3-[4-[(3-methoxyphenyl)carbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[4-[(3-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[4-[(3-methoxyanilino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-[(3-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[4-[(3-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC

InChI

InChI=1S/C28H35N3O5/c1-28(2,3)36-27(34)31-18-21-9-6-5-8-20(21)16-24(31)26(33)30-14-12-19(13-15-30)25(32)29-22-10-7-11-23(17-22)35-4/h5-11,17,19,24H,12-16,18H2,1-4H3,(H,29,32)/t24-/m0/s1