2-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-3H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxidanylidene-3H-indol-3-yl]ethanoic acid Openeye Name: 2-[1-[(7-carbamimidoyl-2-naphthyl)methyl]-5-[(1-ethanimidoyl-4-piperidyl)oxy]-2-oxo-indolin-3-yl]acetic acid CAS Name: 2-[1-[(7-carbamimidoyl-2-naphthalenyl)methyl]-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2-oxo-3H-indol-3-yl]acetic acid IUPAC Name: 2-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-(1-ethanimidoylpiperidin-4-yl)oxy-2-oxo-3H-indol-3-yl]acetic acid Traditional Name: 2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-[(7-amidino-2-naphthyl)methyl]-2-keto-indolin-3-yl]acetic acid Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)C3CC(=O)O)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(=O)C3CC(=O)O)CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C29H31N5O4/c1-17(30)33-10-8-22(9-11-33)38-23-6-7-26-24(14-23)25(15-27(35)36)29(37)34(26)16-18-2-3-19-4-5-20(28(31)32)13-21(19)12-18/h2-7,12-14,22,25,30H,8-11,15-16H2,1H3,(H3,31,32)(H,35,36)