ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6,6-dimethyl-hept-4-ynoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6,6-dimethyl-hept-4-ynoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-6,6-dimethyl-hept-4-ynoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-6,6-dimethyl-4-heptynoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-6,6-dimethylhept-4-ynoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-6,6-dimethyl-hept-4-ynoic acid ethyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#CC(C)(C)C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C#CC(C)(C)C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C22H30N4O4/c1-5-30-20(29)14-17(12-13-22(2,3)4)26-19(28)11-10-18(27)25-16-8-6-15(7-9-16)21(23)24/h6-9,17H,5,10-11,14H2,1-4H3,(H3,23,24)(H,25,27)(H,26,28)