4-[[[4-[(2S)-butan-2-yl]phenyl]amino]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[[4-[(2S)-butan-2-yl]phenyl]amino]methyl]-7-methoxy-chromen-2-one Openeye Name: 7-methoxy-4-[[4-[(1S)-1-methylpropyl]anilino]methyl]chromen-2-one CAS Name: 4-[[4-[(2S)-butan-2-yl]anilino]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2S)-butan-2-yl]anilino]methyl]-7-methoxychromen-2-one Traditional Name: 7-methoxy-4-[[4-[(1S)-1-methylpropyl]anilino]methyl]coumarin Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H23NO3/c1-4-14(2)15-5-7-17(8-6-15)22-13-16-11-21(23)25-20-12-18(24-3)9-10-19(16)20/h5-12,14,22H,4,13H2,1-3H3/t14-/m0/s1