methyl 4-[2-(anthracen-9-ylmethyl)-3-ethoxy-3-oxidanylidene-propanoyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[2-(anthracen-9-ylmethyl)-3-ethoxy-3-oxidanylidene-propanoyl]piperidine-1-carboxylate Openeye Name: methyl 4-[2-(9-anthrylmethyl)-3-ethoxy-3-oxo-propanoyl]piperidine-1-carboxylate CAS Name: 4-[2-(9-anthracenylmethyl)-3-ethoxy-1,3-dioxopropyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(anthracen-9-ylmethyl)-3-ethoxy-3-oxopropanoyl]piperidine-1-carboxylate Traditional Name: 4-[2-(9-anthrylmethyl)-3-ethoxy-3-keto-propanoyl]piperidine-1-carboxylic acid methyl ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)C4CCN(CC4)C(=O)OC

Isomeric SMILES

CCOC(=O)C(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)C4CCN(CC4)C(=O)OC

InChI

InChI=1S/C27H29NO5/c1-3-33-26(30)24(25(29)18-12-14-28(15-13-18)27(31)32-2)17-23-21-10-6-4-8-19(21)16-20-9-5-7-11-22(20)23/h4-11,16,18,24H,3,12-15,17H2,1-2H3