ethyl (3E,5E)-3,5-bis(anthracen-9-ylmethylidene)-4-oxidanylidene-piperidine-1-carboxylate

Systemtic Name: ethyl (3E,5E)-3,5-bis(anthracen-9-ylmethylidene)-4-oxidanylidene-piperidine-1-carboxylate Openeye Name: ethyl (3E,5E)-3,5-bis(9-anthrylmethylene)-4-oxo-piperidine-1-carboxylate CAS Name: (3E,5E)-3,5-bis(9-anthracenylmethylidene)-4-oxo-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3E,5E)-3,5-bis(anthracen-9-ylmethylidene)-4-oxopiperidine-1-carboxylate Traditional Name: (3E,5E)-3,5-bis(9-anthrylmethylene)-4-keto-piperidine-1-carboxylic acid ethyl ester Formula: C38H29NO3 MolecularWeight: 547.64176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)C(=CC5=C6C=CC=CC6=CC7=CC=CC=C75)C1

Isomeric SMILES

CCOC(=O)N1C/C(=C\C2=C3C(=CC4=CC=CC=C24)C=CC=C3)/C(=O)/C(=C/C5=C6C(=CC7=CC=CC=C57)C=CC=C6)/C1

InChI

InChI=1S/C38H29NO3/c1-2-42-38(41)39-23-29(21-35-31-15-7-3-11-25(31)19-26-12-4-8-16-32(26)35)37(40)30(24-39)22-36-33-17-9-5-13-27(33)20-28-14-6-10-18-34(28)36/h3-22H,2,23-24H2,1H3/b29-21+,30-22+