2-[(E)-but-1-enyl]-3-oxidanylidene-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid

Systemtic Name: 2-[(E)-but-1-enyl]-3-oxidanylidene-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid Openeye Name: 2-[(E)-but-1-enyl]-3-oxo-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid CAS Name: 2-[(E)-but-1-enyl]-3-oxo-4-(3-phenoxyphenyl)-2-(1-pyrrolidinyl)heptanoic acid IUPAC Name: 2-[(E)-but-1-enyl]-3-oxo-4-(3-phenoxyphenyl)-2-pyrrolidin-1-ylheptanoic acid Traditional Name: (E)-2-[2-(3-phenoxyphenyl)pentanoyl]-2-pyrrolidino-hex-3-enoic acid Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C(C=CCC)(C(=O)O)N3CCCC3

Isomeric SMILES

CCCC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)C(/C=C/CC)(C(=O)O)N3CCCC3

InChI

InChI=1S/C27H33NO4/c1-3-5-17-27(26(30)31,28-18-9-10-19-28)25(29)24(12-4-2)21-13-11-16-23(20-21)32-22-14-7-6-8-15-22/h5-8,11,13-17,20,24H,3-4,9-10,12,18-19H2,1-2H3,(H,30,31)/b17-5+