(E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid

Systemtic Name: (E,7S)-7-(4-methoxy-3-oxidanyl-phenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Openeye Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-6,6-dimethyl-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid CAS Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-6,6-dimethyl-7-[(1-naphthalenylamino)-oxomethoxy]-2-heptenoic acid IUPAC Name: (E,7S)-7-(3-hydroxy-4-methoxyphenyl)-6,6-dimethyl-7-(naphthalen-1-ylcarbamoyloxy)hept-2-enoic acid Traditional Name: (E,7S)-7-(3-hydroxy-4-methoxy-phenyl)-6,6-dimethyl-7-(1-naphthylcarbamoyloxy)hept-2-enoic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC=CC(=O)O)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(CC/C=C/C(=O)O)[C@@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H29NO6/c1-27(2,16-7-6-13-24(30)31)25(19-14-15-23(33-3)22(29)17-19)34-26(32)28-21-12-8-10-18-9-4-5-11-20(18)21/h4-6,8-15,17,25,29H,7,16H2,1-3H3,(H,28,32)(H,30,31)/b13-6+/t25-/m1/s1