2-[4-[4-(4-azanylbutyl)phenyl]-4-methanoyl-3-methyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-azanylbutyl)phenyl]-4-methanoyl-3-methyl-2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[4-[4-(4-aminobutyl)phenyl]-4-formyl-3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[4-[4-(4-aminobutyl)phenyl]-4-formyl-3-methyl-2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[4-[4-(4-aminobutyl)phenyl]-4-formyl-3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[4-[4-(4-aminobutyl)phenyl]-4-formyl-2-keto-3-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CC1(C=O)C2=CC=C(C=C2)CCCCN)CCCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1(C(=O)N(CC1(C=O)C2=CC=C(C=C2)CCCCN)CCCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C27H34N2O4/c1-26(18-24(31)32)25(33)29(17-7-11-21-8-3-2-4-9-21)19-27(26,20-30)23-14-12-22(13-15-23)10-5-6-16-28/h2-4,8-9,12-15,20H,5-7,10-11,16-19,28H2,1H3,(H,31,32)