2-diethylaminoethyl 4-oxidanylidene-2-(2-phenylcyclopropyl)-3-propyl-chromene-6-carboxylate

Systemtic Name: 2-diethylaminoethyl 4-oxidanylidene-2-(2-phenylcyclopropyl)-3-propyl-chromene-6-carboxylate Openeye Name: 2-diethylaminoethyl 4-oxo-2-(2-phenylcyclopropyl)-3-propyl-chromene-6-carboxylate CAS Name: 4-oxo-2-(2-phenylcyclopropyl)-3-propyl-1-benzopyran-6-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-oxo-2-(2-phenylcyclopropyl)-3-propylchromene-6-carboxylate Traditional Name: 4-keto-2-(2-phenylcyclopropyl)-3-propyl-chromene-6-carboxylic acid 2-diethylaminoethyl ester Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCCN(CC)CC)C3CC3C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)OCCN(CC)CC)C3CC3C4=CC=CC=C4

InChI

InChI=1S/C28H33NO4/c1-4-10-21-26(30)24-17-20(28(31)32-16-15-29(5-2)6-3)13-14-25(24)33-27(21)23-18-22(23)19-11-8-7-9-12-19/h7-9,11-14,17,22-23H,4-6,10,15-16,18H2,1-3H3