methyl (Z)-3-azanyl-3-[3-chloranyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate

Systemtic Name: methyl (Z)-3-azanyl-3-[3-chloranyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate Openeye Name: methyl (Z)-3-amino-3-[3-chloro-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]prop-2-enoate CAS Name: (Z)-3-amino-3-[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-amino-3-[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]prop-2-enoate Traditional Name: (Z)-3-amino-3-[3-chloro-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]acrylic acid methyl ester Formula: C16H23ClN2O4 MolecularWeight: 342.81782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C=C(C=C1)C(=CC(=O)OC)N)Cl)O

Isomeric SMILES

CC(C)NCC(COC1=C(C=C(C=C1)/C(=C/C(=O)OC)/N)Cl)O

InChI

InChI=1S/C16H23ClN2O4/c1-10(2)19-8-12(20)9-23-15-5-4-11(6-13(15)17)14(18)7-16(21)22-3/h4-7,10,12,19-20H,8-9,18H2,1-3H3/b14-7-