methyl (2S)-3-[4-(acridin-9-ylamino)phenyl]-2-benzamido-propanoate

Systemtic Name: methyl (2S)-3-[4-(acridin-9-ylamino)phenyl]-2-benzamido-propanoate Openeye Name: methyl (2S)-3-[4-(acridin-9-ylamino)phenyl]-2-benzamido-propanoate CAS Name: (2S)-3-[4-(9-acridinylamino)phenyl]-2-benzamidopropanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(acridin-9-ylamino)phenyl]-2-benzamidopropanoate Traditional Name: (2S)-3-[4-(acridin-9-ylamino)phenyl]-2-benzamido-propionic acid methyl ester Formula: C30H25N3O3 MolecularWeight: 475.5378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O3/c1-36-30(35)27(33-29(34)21-9-3-2-4-10-21)19-20-15-17-22(18-16-20)31-28-23-11-5-7-13-25(23)32-26-14-8-6-12-24(26)28/h2-18,27H,19H2,1H3,(H,31,32)(H,33,34)/t27-/m0/s1