(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(4-methylbenzyl)propionamide Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O3/c1-14-4-6-16(7-5-14)13-21-20(23)15(2)22-17-8-9-18-19(12-17)25-11-3-10-24-18/h4-9,12,15,22H,3,10-11,13H2,1-2H3,(H,21,23)/t15-/m0/s1