2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(ethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=C(C=C1)CC2=CN(C3=C2C=CC(=C3)C(=N)N)CC)C4=C(C=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCNC(=O)C1=CC(=C(C=C1)CC2=CN(C3=C2C=CC(=C3)C(=N)N)CC)C4=C(C=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C29H30N4O4/c1-4-32-28(34)19-7-6-17(24(13-19)23-11-9-21(37-3)15-25(23)29(35)36)12-20-16-33(5-2)26-14-18(27(30)31)8-10-22(20)26/h6-11,13-16H,4-5,12H2,1-3H3,(H3,30,31)(H,32,34)(H,35,36)