[4-[(E)-3-[4-acetamidobutyl(ethanoyl)amino]-3-oxidanylidene-prop-1-enyl]-2-acetyloxy-phenyl] ethanoate

Systemtic Name: [4-[(E)-3-[4-acetamidobutyl(ethanoyl)amino]-3-oxidanylidene-prop-1-enyl]-2-acetyloxy-phenyl] ethanoate Openeye Name: [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxo-prop-1-enyl]-2-acetoxy-phenyl] acetate CAS Name: acetic acid [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] ester IUPAC Name: [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] acetate Traditional Name: acetic acid [4-[(E)-3-[4-acetamidobutyl(acetyl)amino]-3-keto-prop-1-enyl]-2-acetoxy-phenyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCN(C(=O)C)C(=O)C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NCCCCN(C(=O)C)C(=O)/C=C/C1=CC(=C(C=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-14(24)22-11-5-6-12-23(15(2)25)21(28)10-8-18-7-9-19(29-16(3)26)20(13-18)30-17(4)27/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,24)/b10-8+