tert-butyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate

Systemtic Name: tert-butyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: tert-butyl 3-(7-carbamimidoyl-2-naphthyl)-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 3-(7-amidino-2-naphthyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid tert-butyl ester Formula: C33H40N6O4 MolecularWeight: 584.7085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)N3CCC4=C(C3=O)C=CC(=C4)OC5CCN(CC5)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)N3CCC4=C(C3=O)C=CC(=C4)OC5CCN(CC5)C(=N)N

InChI

InChI=1S/C33H40N6O4/c1-33(2,3)43-31(41)28(17-20-4-5-21-6-7-23(29(34)35)18-24(21)16-20)39-15-10-22-19-26(8-9-27(22)30(39)40)42-25-11-13-38(14-12-25)32(36)37/h4-9,16,18-19,25,28H,10-15,17H2,1-3H3,(H3,34,35)(H3,36,37)