2-[3-[(Z)-C-aminocarbonyl-N-methoxy-carbonimidoyl]-2-methyl-1-(phenylmethyl)indol-4-yl]oxypropanoic acid

Systemtic Name: 2-[3-[(Z)-C-aminocarbonyl-N-methoxy-carbonimidoyl]-2-methyl-1-(phenylmethyl)indol-4-yl]oxypropanoic acid Openeye Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxy-carbonimidoyl]-2-methyl-indol-4-yl]oxypropanoic acid CAS Name: 2-[[3-[(1Z)-2-amino-1-methoxyimino-2-oxoethyl]-2-methyl-1-(phenylmethyl)-4-indolyl]oxy]propanoic acid IUPAC Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxycarbonimidoyl]-2-methylindol-4-yl]oxypropanoic acid Traditional Name: 2-[1-benzyl-3-[(Z)-C-carbamoyl-N-methoxy-carbonimidoyl]-2-methyl-indol-4-yl]oxypropionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)O)C(=NOC)C(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OC(C)C(=O)O)/C(=N/OC)/C(=O)N

InChI

InChI=1S/C22H23N3O5/c1-13-18(20(21(23)26)24-29-3)19-16(25(13)12-15-8-5-4-6-9-15)10-7-11-17(19)30-14(2)22(27)28/h4-11,14H,12H2,1-3H3,(H2,23,26)(H,27,28)/b24-20-