N-[(2S)-1,4-bis(azanyl)butan-2-yl]-2,3-bis(phenylmethoxy)benzamide

Systemtic Name: N-[(2S)-1,4-bis(azanyl)butan-2-yl]-2,3-bis(phenylmethoxy)benzamide Openeye Name: N-[(1S)-3-amino-1-(aminomethyl)propyl]-2,3-dibenzyloxy-benzamide CAS Name: N-[(2S)-1,4-diaminobutan-2-yl]-2,3-bis(phenylmethoxy)benzamide IUPAC Name: N-[(2S)-1,4-diaminobutan-2-yl]-2,3-bis(phenylmethoxy)benzamide Traditional Name: N-[(1S)-3-amino-1-(aminomethyl)propyl]-2,3-dibenzoxy-benzamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NC(CCN)CN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)N[C@@H](CCN)CN

InChI

InChI=1S/C25H29N3O3/c26-15-14-21(16-27)28-25(29)22-12-7-13-23(30-17-19-8-3-1-4-9-19)24(22)31-18-20-10-5-2-6-11-20/h1-13,21H,14-18,26-27H2,(H,28,29)/t21-/m0/s1