tert-butyl 1-[3-(tert-butylamino)propylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[3-(tert-butylamino)propylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-benzyloxy-1-[3-(tert-butylamino)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[[3-(tert-butylamino)propylamino]-oxomethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-(tert-butylamino)propylcarbamoyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-benzoxy-1-[3-(tert-butylamino)propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H41N3O4 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O4/c1-28(2,3)31-17-10-16-30-26(33)25-24-14-13-23(35-20-21-11-8-7-9-12-21)19-22(24)15-18-32(25)27(34)36-29(4,5)6/h7-9,11-14,19,25,31H,10,15-18,20H2,1-6H3,(H,30,33)