ethyl 4-[[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-oxo-butanoate CAS Name: 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-carbamimidoylphenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoate Traditional Name: 4-[4-[3-(4-amidinophenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-keto-butyric acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)C)C#CCOC2=CC=C(C=C2)C(=N)N)C)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)C)C#CCOC2=CC=C(C=C2)C(=N)N)C)C(C)C

InChI

InChI=1S/C27H33N3O4/c1-6-33-26(32)14-13-25(31)30(18(2)3)24-17-19(4)22(16-20(24)5)8-7-15-34-23-11-9-21(10-12-23)27(28)29/h9-12,16-18H,6,13-15H2,1-5H3,(H3,28,29)