2-azanyl-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propanoic acid CAS Name: 2-amino-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-methoxy-3-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)phenyl]propionic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2=CC=CC=C2)NC3=NCCCCC3)CC(C(=O)O)N

Isomeric SMILES

COC1=C(C=CC(=C1C2=CC=CC=C2)NC3=NCCCCC3)CC(C(=O)O)N

InChI

InChI=1S/C22H27N3O3/c1-28-21-16(14-17(23)22(26)27)11-12-18(20(21)15-8-4-2-5-9-15)25-19-10-6-3-7-13-24-19/h2,4-5,8-9,11-12,17H,3,6-7,10,13-14,23H2,1H3,(H,24,25)(H,26,27)