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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-p-anisyl-propionamide Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H24N2O4/c1-14(20(23)21-13-15-4-7-17(24-2)8-5-15)22-16-6-9-18-19(12-16)26-11-3-10-25-18/h4-9,12,14,22H,3,10-11,13H2,1-2H3,(H,21,23)/t14-/m0/s1