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

Systemtic Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxy-indole-2-carboxylic acid Openeye Name: 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]indole-2-carboxylic acid CAS Name: 1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-(1-ethanimidoylpiperidin-4-yl)oxyindole-2-carboxylic acid Traditional Name: 6-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-naphthyl)methyl]indole-2-carboxylic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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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)O

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)O

InChI

InChI=1S/C28H29N5O3/c1-17(29)32-10-8-23(9-11-32)36-24-7-6-20-14-26(28(34)35)33(25(20)15-24)16-18-2-3-19-4-5-21(27(30)31)13-22(19)12-18/h2-7,12-15,23,29H,8-11,16H2,1H3,(H3,30,31)(H,34,35)