methyl 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylate

Systemtic Name: methyl 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylate Openeye Name: methyl 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]indole-2-carboxylate CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxyindole-2-carboxylate Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-naphthyl)methyl]indole-2-carboxylic acid methyl ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C=C(N3CC4=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=C(N3CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)OC

InChI

InChI=1S/C29H31N5O3/c1-18(30)33-11-9-24(10-12-33)37-25-8-7-21-15-27(29(35)36-2)34(26(21)16-25)17-19-3-4-20-5-6-22(28(31)32)14-23(20)13-19/h3-8,13-16,24,30H,9-12,17H2,1-2H3,(H3,31,32)