(E)-3-[(5R)-2-chloranyl-5-pyridin-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[(5R)-2-chloranyl-5-pyridin-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[(5R)-2-chloro-5-(2-pyridyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[(5R)-2-chloro-5-(2-pyridinyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[(5R)-2-chloro-5-pyridin-2-yl-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methylprop-2-enoic acid Traditional Name: (E)-3-[(5R)-2-chloro-5-(2-pyridyl)-2,5-dihydro-1H-1,4-benzodiazepin-3-yl]-3-methoxy-2-methyl-acrylic acid Formula: C19H18ClN3O3 MolecularWeight: 371.81752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=NC(C2=CC=CC=C2NC1Cl)C3=CC=CC=N3)OC)C(=O)O

Isomeric SMILES

C/C(=C(/C1=N[C@H](C2=CC=CC=C2NC1Cl)C3=CC=CC=N3)\OC)/C(=O)O

InChI

InChI=1S/C19H18ClN3O3/c1-11(19(24)25)17(26-2)16-18(20)22-13-8-4-3-7-12(13)15(23-16)14-9-5-6-10-21-14/h3-10,15,18,22H,1-2H3,(H,24,25)/b17-11+/t15-,18?/m1/s1