(E,7S)-7-[(4-cyanophenyl)carbamoyloxy]-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid

Systemtic Name: (E,7S)-7-[(4-cyanophenyl)carbamoyloxy]-7-(4-oxidanylnaphthalen-1-yl)hept-2-enoic acid Openeye Name: (E,7S)-7-[(4-cyanophenyl)carbamoyloxy]-7-(4-hydroxy-1-naphthyl)hept-2-enoic acid CAS Name: (E,7S)-7-[(4-cyanoanilino)-oxomethoxy]-7-(4-hydroxy-1-naphthalenyl)-2-heptenoic acid IUPAC Name: (E,7S)-7-[(4-cyanophenyl)carbamoyloxy]-7-(4-hydroxynaphthalen-1-yl)hept-2-enoic acid Traditional Name: (E,7S)-7-[(4-cyanophenyl)carbamoyloxy]-7-(4-hydroxy-1-naphthyl)hept-2-enoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2O)C(CCCC=CC(=O)O)OC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2O)[C@H](CCC/C=C/C(=O)O)OC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H22N2O5/c26-16-17-10-12-18(13-11-17)27-25(31)32-23(8-2-1-3-9-24(29)30)21-14-15-22(28)20-7-5-4-6-19(20)21/h3-7,9-15,23,28H,1-2,8H2,(H,27,31)(H,29,30)/b9-3+/t23-/m0/s1