3-(8-chloranyl-5-methoxy-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoic acid

Systemtic Name: 3-(8-chloranyl-5-methoxy-2-oxidanylidene-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoic acid Openeye Name: 3-(8-chloro-5-methoxy-2-oxo-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoic acid CAS Name: 3-(8-chloro-5-methoxy-2-oxo-6-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]yl)benzoic acid IUPAC Name: 3-(8-chloro-5-methoxy-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoic acid Traditional Name: 3-(8-chloro-2-keto-5-methoxy-spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)benzoic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1C3=CC(=CC=C3)C(=O)O)Cl)NC(=O)NC24CCCCC4

Isomeric SMILES

COC1=C2C(=C(C=C1C3=CC(=CC=C3)C(=O)O)Cl)NC(=O)NC24CCCCC4

InChI

InChI=1S/C21H21ClN2O4/c1-28-18-14(12-6-5-7-13(10-12)19(25)26)11-15(22)17-16(18)21(24-20(27)23-17)8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,25,26)(H2,23,24,27)