tert-butyl (3S)-3-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2-oxidanylidene-2-phenylazanyl-ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2-anilino-2-oxo-ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[(2-anilino-2-oxoethyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-anilino-2-oxoethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2-anilino-2-keto-ethyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-23(2,3)30-22(29)26-15-17-10-8-7-9-16(17)13-19(26)21(28)24-14-20(27)25-18-11-5-4-6-12-18/h4-12,19H,13-15H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1