2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-dimethylaminoethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-dimethylaminoethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindolin-1-yl)methyl]-5-(2-dimethylaminoethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-[(2-dimethylaminoethylamino)-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-5-(2-dimethylaminoethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindolin-1-yl)methyl]-5-(2-dimethylaminoethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C29H33N5O4 MolecularWeight: 515.60342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=C(C=C1)CN2CCC3=C2C=CC(=C3)C(=N)N)C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C29H33N5O4/c1-33(2)13-11-32-28(35)20-4-5-21(17-34-12-10-18-14-19(27(30)31)6-9-26(18)34)24(15-20)23-8-7-22(38-3)16-25(23)29(36)37/h4-9,14-16H,10-13,17H2,1-3H3,(H3,30,31)(H,32,35)(H,36,37)