2-[(2S)-2-azanyl-3-(4-phenylphenyl)propanoyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[(2S)-2-azanyl-3-(4-phenylphenyl)propanoyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]-N-(2-furylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[(2S)-2-amino-1-oxo-3-(4-phenylphenyl)propyl]-N-(2-furanylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]-N-(2-furfuryl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)C4=CC=CC=C4)N)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)C4=CC=CC=C4)N)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C30H29N3O3/c31-27(17-21-12-14-23(15-13-21)22-7-2-1-3-8-22)30(35)33-20-25-10-5-4-9-24(25)18-28(33)29(34)32-19-26-11-6-16-36-26/h1-16,27-28H,17-20,31H2,(H,32,34)/t27-,28?/m0/s1