5-benzamido-4-oxidanylidene-hexanoic acid; 3-phenylmethoxybicyclo[2.2.0]hexa-1(4),2,5-triene

Systemtic Name: 5-benzamido-4-oxidanylidene-hexanoic acid; 3-phenylmethoxybicyclo[2.2.0]hexa-1(4),2,5-triene Openeye Name: 5-benzamido-4-oxo-hexanoic acid; 3-benzyloxybicyclo[2.2.0]hexa-1(4),2,5-triene CAS Name: 5-benzamido-4-oxohexanoic acid; 3-phenylmethoxybicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: 5-benzamido-4-oxohexanoic acid; 3-phenylmethoxybicyclo[2.2.0]hexa-1(4),2,5-triene Traditional Name: 5-benzamido-4-keto-hexanoic acid; 3-benzoxybicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCC(=O)O)NC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)COC2=CC3=C2C=C3

Isomeric SMILES

CC(C(=O)CCC(=O)O)NC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)COC2=CC3=C2C=C3

InChI

InChI=1S/C13H15NO4.C13H10O/c1-9(11(15)7-8-12(16)17)14-13(18)10-5-3-2-4-6-10;1-2-4-10(5-3-1)9-14-13-8-11-6-7-12(11)13/h2-6,9H,7-8H2,1H3,(H,14,18)(H,16,17);1-8H,9H2