(2S)-2-tert-butyl-4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate

Systemtic Name: (2S)-2-tert-butyl-4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Openeye Name: (2S)-2-tert-butyl-4-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-4-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate IUPAC Name: (2S)-2-tert-butyl-4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-4-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Formula: C27H28NO4- MolecularWeight: 430.51552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)[O-])CC(C2)C(C)(C)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)[O-])C[C@H](C2)C(C)(C)C)C=CC1=O

InChI

InChI=1S/C27H29NO4/c1-5-32-23-13-16(10-11-22(23)29)12-17-14-18(27(2,3)4)15-20-24(26(30)31)19-8-6-7-9-21(19)28-25(17)20/h6-13,18,28H,5,14-15H2,1-4H3,(H,30,31)/p-1/t18-/m0/s1