tert-butyl 6-phenylmethoxy-1-[2-(propan-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-phenylmethoxy-1-[2-(propan-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-[2-(isopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[oxo-[2-(propan-2-ylamino)ethylamino]methyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-phenylmethoxy-1-[2-(propan-2-ylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[2-(isopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)NCCNC(=O)C1C2=C(CCN1C(=O)OC(C)(C)C)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O4/c1-19(2)28-14-15-29-25(31)24-23-12-11-22(33-18-20-9-7-6-8-10-20)17-21(23)13-16-30(24)26(32)34-27(3,4)5/h6-12,17,19,24,28H,13-16,18H2,1-5H3,(H,29,31)