2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl 4-methylbenzoate

Systemtic Name: 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl 4-methylbenzoate Openeye Name: 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[methyl-[(E)-1-oxodocos-13-enyl]amino]ethyl ester IUPAC Name: 2-[[(E)-docos-13-enoyl]-methylamino]ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[[(E)-docos-13-enoyl]-methyl-amino]ethyl ester Formula: C33H55NO3 MolecularWeight: 513.7947

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N(C)CCOC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C33H55NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(35)34(3)28-29-37-33(36)31-26-24-30(2)25-27-31/h11-12,24-27H,4-10,13-23,28-29H2,1-3H3/b12-11+