tert-butyl 3-[2-[(2-methoxy-5-methyl-phenyl)carbamoyl]pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[2-[(2-methoxy-5-methyl-phenyl)carbamoyl]pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-[(2-methoxy-5-methyl-phenyl)carbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[2-[(2-methoxy-5-methylanilino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-[(2-methoxy-5-methyl-phenyl)carbamoyl]pyrrolidine-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:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CCCN2C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C

InChI

InChI=1S/C28H35N3O5/c1-18-12-13-24(35-5)21(15-18)29-25(32)22-11-8-14-30(22)26(33)23-16-19-9-6-7-10-20(19)17-31(23)27(34)36-28(2,3)4/h6-7,9-10,12-13,15,22-23H,8,11,14,16-17H2,1-5H3,(H,29,32)