tert-butyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate

Systemtic Name: tert-butyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: tert-butyl 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid tert-butyl ester Formula: C29H38N6O4 MolecularWeight: 534.64982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)N)N2CCC3=C(C2=O)C=CC(=C3)OC4CCN(CC4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC(=C1)C(=N)N)N2CCC3=C(C2=O)C=CC(=C3)OC4CCN(CC4)C(=N)N

InChI

InChI=1S/C29H38N6O4/c1-29(2,3)39-27(37)24(16-18-5-4-6-20(15-18)25(30)31)35-14-9-19-17-22(7-8-23(19)26(35)36)38-21-10-12-34(13-11-21)28(32)33/h4-8,15,17,21,24H,9-14,16H2,1-3H3,(H3,30,31)(H3,32,33)