3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-[4-(1H-imidazol-2-ylamino)butyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-3-phenyl-propionic acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1CCCCNC3=NC=CN3)C=CC(=C2)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(N1CCCCNC3=NC=CN3)C=CC(=C2)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3/c30-23(31)17-20(18-6-2-1-3-7-18)28-19-8-9-21-22(16-19)32-15-14-29(21)13-5-4-10-25-24-26-11-12-27-24/h1-3,6-9,11-12,16,20,28H,4-5,10,13-15,17H2,(H,30,31)(H2,25,26,27)