3-[[6-ethyl-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]propanoate

Systemtic Name: 3-[[6-ethyl-2-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]propanoate Openeye Name: 3-[[6-ethyl-2-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]propanoate CAS Name: 3-[[6-ethyl-2-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-1-benzopyran-4-yl]amino]propanoate IUPAC Name: 3-[[6-ethyl-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]propanoate Traditional Name: 3-[[6-ethyl-2-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)chromen-4-yl]amino]propionate Formula: C21H20NO5- MolecularWeight: 366.3872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=CC(=O)C(=C3)OC)C=C2NCCC(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=CC(=O)C(=C3)OC)C=C2NCCC(=O)[O-]

InChI

InChI=1S/C21H21NO5/c1-3-13-4-7-18-15(10-13)16(22-9-8-21(24)25)12-19(27-18)14-5-6-17(23)20(11-14)26-2/h4-7,10-12,22H,3,8-9H2,1-2H3,(H,24,25)/p-1