2-diethylaminoethyl 4-oxidanylidene-2-[(E)-2-phenylethenyl]-3-propyl-chromene-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 4-oxidanylidene-2-[(E)-2-phenylethenyl]-3-propyl-chromene-6-carboxylate Openeye Name: 2-diethylaminoethyl 4-oxo-3-propyl-2-[(E)-styryl]chromene-6-carboxylate CAS Name: 4-oxo-2-[(E)-2-phenylethenyl]-3-propyl-1-benzopyran-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-oxo-2-[(E)-2-phenylethenyl]-3-propylchromene-6-carboxylate Traditional Name: 4-keto-3-propyl-2-[(E)-styryl]chromene-6-carboxylic acid 2-diethylaminoethyl ester Formula: C27H31NO4 MolecularWeight: 433.53934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCCN(CC)CC)C=CC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCCN(CC)CC)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4/c1-4-10-22-24(15-13-20-11-8-7-9-12-20)32-25-16-14-21(19-23(25)26(22)29)27(30)31-18-17-28(5-2)6-3/h7-9,11-16,19H,4-6,10,17-18H2,1-3H3/b15-13+