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

Systemtic Name: methyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C31H35N5O4 MolecularWeight: 541.6407

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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

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

InChI

InChI=1S/C31H35N5O4/c1-19(32)35-12-10-25(11-13-35)40-26-7-8-27-22(18-26)9-14-36(30(27)37)28(31(38)39-2)16-20-3-4-21-5-6-23(29(33)34)17-24(21)15-20/h3-8,15,17-18,25,28,32H,9-14,16H2,1-2H3,(H3,33,34)