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

Systemtic Name: tert-butyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: tert-butyl 3-(7-carbamimidoyl-2-naphthyl)-2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[6-[[1-(1-iminoethyl)-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-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]-3-(7-amidino-2-naphthyl)propionic acid tert-butyl ester Formula: C34H41N5O4 MolecularWeight: 583.72044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C34H41N5O4/c1-21(35)38-14-12-27(13-15-38)42-28-9-10-29-24(20-28)11-16-39(32(29)40)30(33(41)43-34(2,3)4)18-22-5-6-23-7-8-25(31(36)37)19-26(23)17-22/h5-10,17,19-20,27,30,35H,11-16,18H2,1-4H3,(H3,36,37)