(2S)-2-[(4-methylazulen-1-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(4-methylazulen-1-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(4-methyl-1-azulenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(4-methylazulene-1-carbonyl)amino]-3-phenyl-propionic acid Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C2C1=CC=C2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C2C1=CC=C2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19NO3/c1-14-7-5-6-10-17-16(14)11-12-18(17)20(23)22-19(21(24)25)13-15-8-3-2-4-9-15/h2-12,19H,13H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1