methyl (2S)-2-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNC(CC2=CC=CC=C2)C(=O)OC)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CN[C@@H](CC2=CC=CC=C2)C(=O)OC)C=C1

InChI

InChI=1S/C21H26N2O3/c1-4-23(5-2)18-12-11-17(20(24)14-18)15-22-19(21(25)26-3)13-16-9-7-6-8-10-16/h6-12,14-15,19,22H,4-5,13H2,1-3H3/t19-/m0/s1