methyl 3-[(2-methyl-2-morpholin-4-yl-butyl)carbamoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(2-methyl-2-morpholin-4-yl-butyl)carbamoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(2-methyl-2-morpholino-butyl)carbamoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[[2-methyl-2-(4-morpholinyl)butyl]amino]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-2-morpholin-4-ylbutyl)carbamoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(2-methyl-2-morpholino-butyl)carbamoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CNC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)N3CCOCC3

Isomeric SMILES

CCC(C)(CNC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)N3CCOCC3

InChI

InChI=1S/C22H34N4O4/c1-4-22(2,26-11-13-30-14-12-26)16-23-21(28)24-18-15-17(20(27)29-3)7-8-19(18)25-9-5-6-10-25/h7-8,15H,4-6,9-14,16H2,1-3H3,(H2,23,24,28)