(4-carbamimidoyl-2-methyl-phenyl) 4-[(Z)-3-[ethyl(prop-2-enyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoyl-2-methyl-phenyl) 4-[(Z)-3-[ethyl(prop-2-enyl)amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoyl-2-methyl-phenyl) 4-[(Z)-3-[allyl(ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-3-[ethyl(prop-2-enyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoyl-2-methylphenyl) ester IUPAC Name: (4-carbamimidoyl-2-methylphenyl) 4-[(Z)-3-[ethyl(prop-2-enyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-[allyl(ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidino-2-methyl-phenyl) ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC=C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)C)C

Isomeric SMILES

CCN(CC=C)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=N)N)C)/C

InChI

InChI=1S/C24H27N3O3/c1-5-13-27(6-2)23(28)17(4)14-18-7-9-19(10-8-18)24(29)30-21-12-11-20(22(25)26)15-16(21)3/h5,7-12,14-15H,1,6,13H2,2-4H3,(H3,25,26)/b17-14-