ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]-cyclopentyl-amino]-2-methoxy-3-oxo-propanoate CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]-cyclopentylamino]-2-methoxy-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-cyclopentylamino]-2-methoxy-3-oxopropanoate Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-cyclopentyl-amino]-3-keto-2-methoxy-propionic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=C3)CC4=CC=C(C=C4)C(=N)N)C)OC

Isomeric SMILES

CCOC(=O)C(C(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=C3)CC4=CC=C(C=C4)C(=N)N)C)OC

InChI

InChI=1S/C28H34N4O4/c1-4-36-28(34)25(35-3)27(33)32(21-7-5-6-8-21)22-13-14-24-20(16-22)17-23(31(24)2)15-18-9-11-19(12-10-18)26(29)30/h9-14,16-17,21,25H,4-8,15H2,1-3H3,(H3,29,30)