ethyl 4-[[1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-isohexyl-2-(4-phenylbutylcarbamoyl)pyrrolidin-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[1-(4-methylpentyl)-2-[oxo-(4-phenylbutylamino)methyl]-2-pyrrolidinyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-methylpentyl)-2-(4-phenylbutylcarbamoyl)pyrrolidin-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[1-isohexyl-2-(4-phenylbutylcarbamoyl)pyrrolidin-2-yl]amino]-4-keto-butyric acid ethyl ester Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1(CCCN1CCCC(C)C)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC1(CCCN1CCCC(C)C)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H43N3O4/c1-4-34-25(32)17-16-24(31)29-27(18-11-21-30(27)20-10-12-22(2)3)26(33)28-19-9-8-15-23-13-6-5-7-14-23/h5-7,13-14,22H,4,8-12,15-21H2,1-3H3,(H,28,33)(H,29,31)