6-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]-3-methoxy-2-piperazin-1-ylcarbonyl-benzoic acid

Systemtic Name: 6-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)phenyl]-3-methoxy-2-piperazin-1-ylcarbonyl-benzoic acid Openeye Name: 6-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(2-ethoxy-2-oxo-ethyl)phenyl]-3-methoxy-2-(piperazine-1-carbonyl)benzoic acid CAS Name: 6-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-ethoxy-2-oxoethyl)phenyl]-3-methoxy-2-[oxo(1-piperazinyl)methyl]benzoic acid IUPAC Name: 6-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-ethoxy-2-oxoethyl)phenyl]-3-methoxy-2-(piperazine-1-carbonyl)benzoic acid Traditional Name: 6-[2-[(5-amidinoindolin-1-yl)methyl]-5-(2-ethoxy-2-keto-ethyl)phenyl]-3-methoxy-2-(piperazine-1-carbonyl)benzoic acid Formula: C33H37N5O6 MolecularWeight: 599.67678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C(=C(C=C4)OC)C(=O)N5CCNCC5)C(=O)O

Isomeric SMILES

CCOC(=O)CC1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C(=C(C=C4)OC)C(=O)N5CCNCC5)C(=O)O

InChI

InChI=1S/C33H37N5O6/c1-3-44-28(39)17-20-4-5-23(19-38-13-10-21-18-22(31(34)35)6-8-26(21)38)25(16-20)24-7-9-27(43-2)30(29(24)33(41)42)32(40)37-14-11-36-12-15-37/h4-9,16,18,36H,3,10-15,17,19H2,1-2H3,(H3,34,35)(H,41,42)