methyl 5-carbamimidoyl-2-[4-[(Z)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]phenyl]carbonyloxy-benzoate

Systemtic Name: methyl 5-carbamimidoyl-2-[4-[(Z)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-prop-2-enyl-amino]-2-methyl-3-oxidanylidene-prop-1-enyl]phenyl]carbonyloxy-benzoate Openeye Name: methyl 2-[4-[(Z)-3-[allyl-(2-ethoxy-2-oxo-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoyl]oxy-5-carbamimidoyl-benzoate CAS Name: 5-carbamimidoyl-2-[[4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]phenyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 5-carbamimidoyl-2-[4-[(Z)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoyl]oxybenzoate Traditional Name: 2-[4-[(Z)-3-[allyl-(2-ethoxy-2-keto-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoyl]oxy-5-amidino-benzoic acid methyl 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=C(C=C(C=C2)C(=N)N)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O7/c1-5-13-30(16-23(31)36-6-2)25(32)17(3)14-18-7-9-19(10-8-18)26(33)37-22-12-11-20(24(28)29)15-21(22)27(34)35-4/h5,7-12,14-15H,1,6,13,16H2,2-4H3,(H3,28,29)/b17-14-