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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-2-ethoxycarbonyl-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-2-[allyl-(2-ethoxy-2-oxo-ethyl)carbamoyl]-3-ethoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-ethoxycarbonyl-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-2-ethoxycarbonyl-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-2-[allyl-(2-ethoxy-2-keto-ethyl)carbamoyl]-3-ethoxy-3-keto-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H29N3O7 MolecularWeight: 507.53506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CN(CC=C)C(=O)/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)OCC

InChI

InChI=1S/C27H29N3O7/c1-4-15-30(17-23(31)35-5-2)25(32)22(27(34)36-6-3)16-18-7-9-20(10-8-18)26(33)37-21-13-11-19(12-14-21)24(28)29/h4,7-14,16H,1,5-6,15,17H2,2-3H3,(H3,28,29)/b22-16+