methyl 4-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O4/c1-4-25-14-18(29-20-8-6-5-7-19(20)25)13-24(2)15-21(26)23-17-11-9-16(10-12-17)22(27)28-3/h5-12,18H,4,13-15H2,1-3H3,(H,23,26)