methyl 3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(2-indoxazen-3-ylacetyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4/c1-27-21(26)14-8-9-18(24-10-4-5-11-24)17(12-14)22-20(25)13-16-15-6-2-3-7-19(15)28-23-16/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,25)