methyl 4-[3-(phenylmethyl)imino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl]benzoate

Systemtic Name: methyl 4-[3-(phenylmethyl)imino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl]benzoate Openeye Name: methyl 4-(3-benzylimino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl)benzoate CAS Name: 4-[3-(phenylmethyl)imino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-benzylimino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl)benzoate Traditional Name: 4-(3-benzylimino-2-propyl-4-oxaspiro[4.5]dec-1-en-1-yl)benzoic acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2(CCCCC2)OC1=NCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCC1=C(C2(CCCCC2)OC1=NCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H31NO3/c1-3-10-23-24(21-13-15-22(16-14-21)26(29)30-2)27(17-8-5-9-18-27)31-25(23)28-19-20-11-6-4-7-12-20/h4,6-7,11-16H,3,5,8-10,17-19H2,1-2H3