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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(3-ethoxy-3-oxidanylidene-propyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[allyl-(3-ethoxy-3-oxo-propyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(3-ethoxy-3-oxopropyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(3-ethoxy-3-oxopropyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[allyl-(3-ethoxy-3-keto-propyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(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)CCN(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/C26H29N3O5/c1-4-15-29(16-14-23(30)33-5-2)25(31)18(3)17-19-6-8-21(9-7-19)26(32)34-22-12-10-20(11-13-22)24(27)28/h4,6-13,17H,1,5,14-16H2,2-3H3,(H3,27,28)/b18-17+