tert-butyl 3-[2-dimethylaminoethyl-(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[2-dimethylaminoethyl-(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[2-dimethylaminoethyl-(phenylmethyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[benzyl(2-dimethylaminoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N(CCN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N(CCN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O3/c1-26(2,3)32-25(31)29-19-22-14-10-9-13-21(22)17-23(29)24(30)28(16-15-27(4)5)18-20-11-7-6-8-12-20/h6-14,23H,15-19H2,1-5H3