methyl 2-azanyl-3-[1-(phenylmethyl)cyclohexa-2,4-dien-1-yl]propanoate

Systemtic Name: methyl 2-azanyl-3-[1-(phenylmethyl)cyclohexa-2,4-dien-1-yl]propanoate Openeye Name: methyl 2-amino-3-(1-benzylcyclohexa-2,4-dien-1-yl)propanoate CAS Name: 2-amino-3-[1-(phenylmethyl)-1-cyclohexa-2,4-dienyl]propanoic acid methyl ester IUPAC Name: methyl 2-amino-3-(1-benzylcyclohexa-2,4-dien-1-yl)propanoate Traditional Name: 2-amino-3-(1-benzylcyclohexa-2,4-dien-1-yl)propionic acid methyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1(CC=CC=C1)CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C(CC1(CC=CC=C1)CC2=CC=CC=C2)N

InChI

InChI=1S/C17H21NO2/c1-20-16(19)15(18)13-17(10-6-3-7-11-17)12-14-8-4-2-5-9-14/h2-10,15H,11-13,18H2,1H3