3-phenylpropyl 5-[(4-heptoxyphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-heptoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-heptoxyanilino)-5-oxo-pentanoate CAS Name: 5-(4-heptoxyanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(4-heptoxyanilino)-5-oxopentanoate Traditional Name: 5-(4-heptoxyanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C27H37NO4/c1-2-3-4-5-9-21-31-25-19-17-24(18-20-25)28-26(29)15-10-16-27(30)32-22-11-14-23-12-7-6-8-13-23/h6-8,12-13,17-20H,2-5,9-11,14-16,21-22H2,1H3,(H,28,29)