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

Systemtic Name: ethyl 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonyl-methyl-amino]propanoate Openeye Name: ethyl 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]-methyl-amino]propanoate CAS Name: 3-[[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]-methylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]-methylamino]propanoate Traditional Name: 3-[[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]-methyl-amino]propionic acid ethyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C)C(=O)C1(CC1)C2=CC3=C(C=C2)N(C(=O)C(=N3)CC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H31N5O4/c1-4-36-23(33)11-14-31(2)26(35)27(12-13-27)19-9-10-22-20(16-19)30-21(25(34)32(22)3)15-17-5-7-18(8-6-17)24(28)29/h5-10,16H,4,11-15H2,1-3H3,(H3,28,29)