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

Systemtic Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[(2S)-2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-2-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2S)-2-(p-anisylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC[C@H]3C(=O)NCC4=CC=C(C=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)30-15-7-10-23(30)25(32)29-17-19-11-13-22(35-4)14-12-19/h5-6,8-9,11-14,23-24H,7,10,15-18H2,1-4H3,(H,29,32)/t23-,24-/m0/s1