2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidino]-2-keto-ethyl]benzoic acid Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H30N4O3/c1-2-29-21(14-18-9-10-19(25(27)28)15-23(18)29)12-11-20-7-5-13-30(20)24(31)16-17-6-3-4-8-22(17)26(32)33/h3-4,6,8-10,14-15,20H,2,5,7,11-13,16H2,1H3,(H3,27,28)(H,32,33)