(4-carbamimidoylphenyl) 4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(4-ethoxy-4-oxidanylidene-butyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[allyl-(4-ethoxy-4-oxo-butyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(4-ethoxy-4-oxobutyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(4-ethoxy-4-oxobutyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[allyl-(4-ethoxy-4-keto-butyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(CC=C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCCN(CC=C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C27H31N3O5/c1-4-16-30(17-6-7-24(31)34-5-2)26(32)19(3)18-20-8-10-22(11-9-20)27(33)35-23-14-12-21(13-15-23)25(28)29/h4,8-15,18H,1,5-7,16-17H2,2-3H3,(H3,28,29)/b19-18+