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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(pyridin-3-ylmethylcarbamoyl)phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(3-pyridylmethylcarbamoyl)phenyl]-5-methoxy-benzoic acid Formula: C33H31N5O4 MolecularWeight: 561.63034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)C5=C(C=C(C=C5)OC)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C33H31N5O4/c1-3-38-19-24(26-10-8-22(31(34)35)15-30(26)38)13-21-6-7-23(32(39)37-18-20-5-4-12-36-17-20)14-28(21)27-11-9-25(42-2)16-29(27)33(40)41/h4-12,14-17,19H,3,13,18H2,1-2H3,(H3,34,35)(H,37,39)(H,40,41)