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

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[oxo(propylamino)methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-(propylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C30H32N4O3 MolecularWeight: 496.60008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O3/c1-4-12-33-29(35)21-8-7-19(25(15-21)24-10-6-18(3)13-26(24)30(36)37)14-22-17-34(5-2)27-16-20(28(31)32)9-11-23(22)27/h6-11,13,15-17H,4-5,12,14H2,1-3H3,(H3,31,32)(H,33,35)(H,36,37)