ethyl 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]acetate CAS Name: 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]acetate Traditional Name: 2-[4-[(2S)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]phenoxy]acetic acid ethyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N[C@@H](C2)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3/c1-2-29-25(28)17-30-20-14-12-19(13-15-20)24-16-23(18-8-4-3-5-9-18)26-21-10-6-7-11-22(21)27-24/h3-15,23,26H,2,16-17H2,1H3/t23-/m0/s1