2-[2-[[1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[[1-(3-amino-3-oxo-propyl)-6-carbamimidoyl-indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[1-(3-amino-3-oxopropyl)-6-carbamimidoyl-3-indolyl]methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[[1-(3-amino-3-oxopropyl)-6-carbamimidoylindol-3-yl]methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[[6-amidino-1-(3-amino-3-keto-propyl)indol-3-yl]methyl]phenyl]-5-methoxy-benzoic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)CCC(=O)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)CCC(=O)N)C(=O)O

InChI

InChI=1S/C27H26N4O4/c1-35-19-7-9-22(23(14-19)27(33)34)20-5-3-2-4-16(20)12-18-15-31(11-10-25(28)32)24-13-17(26(29)30)6-8-21(18)24/h2-9,13-15H,10-12H2,1H3,(H2,28,32)(H3,29,30)(H,33,34)