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

Systemtic Name: methyl 3-(7-carbamimidoylnaphthalen-2-yl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C30H34N6O4 MolecularWeight: 542.62876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C30H34N6O4/c1-39-29(38)26(15-18-2-3-19-4-5-21(27(31)32)16-22(19)14-18)36-13-8-20-17-24(6-7-25(20)28(36)37)40-23-9-11-35(12-10-23)30(33)34/h2-7,14,16-17,23,26H,8-13,15H2,1H3,(H3,31,32)(H3,33,34)