methyl 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-oxo-butanoate CAS Name: 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-oxobutanoate Traditional Name: 4-[4-[[(E)-11-cyclopentylundec-10-enyl]amino]phenyl]-4-keto-butyric acid methyl ester Formula: C27H41NO3 MolecularWeight: 427.61934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC=C(C=C1)NCCCCCCCCCC=CC2CCCC2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC=C(C=C1)NCCCCCCCCC/C=C/C2CCCC2

InChI

InChI=1S/C27H41NO3/c1-31-27(30)21-20-26(29)24-16-18-25(19-17-24)28-22-12-8-6-4-2-3-5-7-9-13-23-14-10-11-15-23/h9,13,16-19,23,28H,2-8,10-12,14-15,20-22H2,1H3/b13-9+