(phenylmethyl) (3S)-3-[(2-aminophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-[(2-aminophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-[(2-aminophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(2-aminoanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-[(2-aminophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2-aminophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C24H23N3O3/c25-20-12-6-7-13-21(20)26-23(28)22-14-18-10-4-5-11-19(18)15-27(22)24(29)30-16-17-8-2-1-3-9-17/h1-13,22H,14-16,25H2,(H,26,28)/t22-/m0/s1