methyl 4-[(6-carbamimidoyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-1-[(7-carbamimidoylnaphthalen-2-yl)methyl]pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(6-carbamimidoyl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-1-[(7-carbamimidoylnaphthalen-2-yl)methyl]pyrrole-2-carboxylate Openeye Name: methyl 4-(6-carbamimidoyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[(7-carbamimidoyl-2-naphthyl)methyl]pyrrole-2-carboxylate CAS Name: 4-[(6-carbamimidoyl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(6-carbamimidoyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[(7-carbamimidoylnaphthalen-2-yl)methyl]pyrrole-2-carboxylate Traditional Name: 4-(6-amidino-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[(7-amidino-2-naphthyl)methyl]pyrrole-2-carboxylic acid methyl ester Formula: C29H28N6O3 MolecularWeight: 508.57102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=N)N

Isomeric SMILES

COC(=O)C1=CC(=CN1CC2=CC3=C(C=C2)C=CC(=C3)C(=N)N)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C29H28N6O3/c1-38-29(37)25-13-24(28(36)34-9-8-19-11-20(26(30)31)6-7-22(19)15-34)16-35(25)14-17-2-3-18-4-5-21(27(32)33)12-23(18)10-17/h2-7,10-13,16H,8-9,14-15H2,1H3,(H3,30,31)(H3,32,33)