ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-cyclopentyl-amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-cyclopentyl-amino]-3-oxo-propanoate CAS Name: 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-cyclopentylamino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-cyclopentylamino]-3-oxopropanoate Traditional Name: 3-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-cyclopentyl-amino]-3-keto-propionic acid ethyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CC(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H31N5O4/c1-3-36-25(34)16-24(33)32(19-6-4-5-7-19)20-12-13-23-21(15-20)30-22(27(35)31(23)2)14-17-8-10-18(11-9-17)26(28)29/h8-13,15,19H,3-7,14,16H2,1-2H3,(H3,28,29)