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

Systemtic Name: tert-butyl 1-[2,2-bis(propan-2-ylamino)ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-[2,2-bis(isopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[2,2-bis(propan-2-ylamino)ethylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2,2-bis(propan-2-ylamino)ethylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[2,2-bis(isopropylamino)ethylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C30H44N4O4 MolecularWeight: 524.69476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N4O4/c1-20(2)32-26(33-21(3)4)18-31-28(35)27-25-14-13-24(37-19-22-11-9-8-10-12-22)17-23(25)15-16-34(27)29(36)38-30(5,6)7/h8-14,17,20-21,26-27,32-33H,15-16,18-19H2,1-7H3,(H,31,35)