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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methoxy-benzoic acid Formula: C33H32N6O4 MolecularWeight: 576.64498

Click to see the large picture

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=NC=C(N=C4)C)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=NC=C(N=C4)C)C5=C(C=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C33H32N6O4/c1-4-39-18-23(26-9-7-21(31(34)35)13-30(26)39)11-20-5-6-22(32(40)38-17-24-16-36-19(2)15-37-24)12-28(20)27-10-8-25(43-3)14-29(27)33(41)42/h5-10,12-16,18H,4,11,17H2,1-3H3,(H3,34,35)(H,38,40)(H,41,42)