methyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]-3-oxo-propanoate CAS Name: 3-[4-(4-hexadecyl-1-piperazinyl)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-hexadecylpiperazin-1-yl)phenyl]-3-oxopropanoate Traditional Name: 3-[4-(4-cetylpiperazino)phenyl]-3-keto-propionic acid methyl ester Formula: C30H50N2O3 MolecularWeight: 486.7296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)CC(=O)OC

InChI

InChI=1S/C30H50N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-22-24-32(25-23-31)28-19-17-27(18-20-28)29(33)26-30(34)35-2/h17-20H,3-16,21-26H2,1-2H3