2-[5-carbamimidoyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-carbamimidoyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-5-carbamimidoyl-indol-3-yl]acetic acid CAS Name: 2-[5-carbamimidoyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-carbamimidoylindol-3-yl]acetic acid Traditional Name: 2-[5-amidino-1-[2-(4-benzylpiperidino)-2-keto-ethyl]indol-3-yl]acetic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C25H28N4O3/c26-25(27)19-6-7-22-21(13-19)20(14-24(31)32)15-29(22)16-23(30)28-10-8-18(9-11-28)12-17-4-2-1-3-5-17/h1-7,13,15,18H,8-12,14,16H2,(H3,26,27)(H,31,32)