ethyl 4-[[5-bromanyl-4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-bromanyl-4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-bromo-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-isopropyl-2-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[5-bromo-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-bromo-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-4-oxobutanoate Traditional Name: 4-[4-[3-(4-amidinoanilino)prop-1-ynyl]-5-bromo-N-isopropyl-2-methyl-anilino]-4-keto-butyric acid ethyl ester Formula: C26H31BrN4O3 MolecularWeight: 527.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)Br)C#CCNC2=CC=C(C=C2)C(=N)N)C)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)Br)C#CCNC2=CC=C(C=C2)C(=N)N)C)C(C)C

InChI

InChI=1S/C26H31BrN4O3/c1-5-34-25(33)13-12-24(32)31(17(2)3)23-16-22(27)20(15-18(23)4)7-6-14-30-21-10-8-19(9-11-21)26(28)29/h8-11,15-17,30H,5,12-14H2,1-4H3,(H3,28,29)