methyl 3-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[4-[(2-ethoxyphenyl)carbonylamino]butanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[4-[[(2-ethoxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[4-[(2-ethoxybenzoyl)amino]butanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NCCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C25H31N3O5/c1-3-33-22-10-5-4-9-19(22)24(30)26-14-8-11-23(29)27-20-17-18(25(31)32-2)12-13-21(20)28-15-6-7-16-28/h4-5,9-10,12-13,17H,3,6-8,11,14-16H2,1-2H3,(H,26,30)(H,27,29)