[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]carbamoyl-(cyclopentylmethyl)carbamic acid

Systemtic Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]carbamoyl-(cyclopentylmethyl)carbamic acid Openeye Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]carbamoyl-(cyclopentylmethyl)carbamic acid CAS Name: [[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]amino]-oxomethyl]-(cyclopentylmethyl)carbamic acid IUPAC Name: [2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]carbamoyl-(cyclopentylmethyl)carbamic acid Traditional Name: [2-(4-amidinobenzyl)-1-methyl-indol-5-yl]carbamoyl-(cyclopentylmethyl)carbamic acid Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)N(CC3CCCC3)C(=O)O)C=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)N(CC3CCCC3)C(=O)O)C=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H29N5O3/c1-29-21(12-16-6-8-18(9-7-16)23(26)27)14-19-13-20(10-11-22(19)29)28-24(31)30(25(32)33)15-17-4-2-3-5-17/h6-11,13-14,17H,2-5,12,15H2,1H3,(H3,26,27)(H,28,31)(H,32,33)