methyl 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate

Systemtic Name: methyl 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate Openeye Name: methyl 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate CAS Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate Traditional Name: 3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propionic acid methyl ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NCCC(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NCCC(=O)OC

InChI

InChI=1S/C15H21NO3/c1-11-5-3-6-12-13(7-4-10-19-15(11)12)16-9-8-14(17)18-2/h3,5-6,13,16H,4,7-10H2,1-2H3