methyl 7-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]heptanoate

Systemtic Name: methyl 7-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]heptanoate Openeye Name: methyl 7-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]heptanoate CAS Name: 7-[[(E)-3-[4-[(cyclopropylamino)-oxomethyl]phenyl]-1-oxoprop-2-enyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]heptanoate Traditional Name: 7-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]acryloyl]amino]enanthic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C=CC1=CC=C(C=C1)C(=O)NC2CC2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)/C=C/C1=CC=C(C=C1)C(=O)NC2CC2

InChI

InChI=1S/C21H28N2O4/c1-27-20(25)6-4-2-3-5-15-22-19(24)14-9-16-7-10-17(11-8-16)21(26)23-18-12-13-18/h7-11,14,18H,2-6,12-13,15H2,1H3,(H,22,24)(H,23,26)/b14-9+