3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]-3-oxopropanoic acid IUPAC Name: 3-[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]-3-oxopropanoic acid Traditional Name: 3-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]-3-keto-propionic 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(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)CC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)C(=O)CC(=O)O

InChI

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