3-[7-[4-(2-azanylethoxy)phenyl]-5-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid

Systemtic Name: 3-[7-[4-(2-azanylethoxy)phenyl]-5-oxidanylidene-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid Openeye Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-benzyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid CAS Name: 3-[7-[4-(2-aminoethoxy)phenyl]-5-oxo-2-(phenylmethyl)-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid IUPAC Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-benzyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl]butanoic acid Traditional Name: 3-[7-[4-(2-aminoethoxy)phenyl]-2-benzyl-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl]butyric acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CC(OC2=C(C1=O)C=C(C=C2)C3=CC=C(C=C3)OCCN)CC4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)O)N1CC(OC2=C(C1=O)C=C(C=C2)C3=CC=C(C=C3)OCCN)CC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5/c1-19(15-27(31)32)30-18-24(16-20-5-3-2-4-6-20)35-26-12-9-22(17-25(26)28(30)33)21-7-10-23(11-8-21)34-14-13-29/h2-12,17,19,24H,13-16,18,29H2,1H3,(H,31,32)