octadecyl 3-azanyl-4-chloranyl-benzoate

Systemtic Name: octadecyl 3-azanyl-4-chloranyl-benzoate Openeye Name: octadecyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid octadecyl ester IUPAC Name: octadecyl 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid stearyl ester Formula: C25H42ClNO2 MolecularWeight: 424.05948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C25H42ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25(28)22-18-19-23(26)24(27)21-22/h18-19,21H,2-17,20,27H2,1H3